silylmethyl propanoate

C4H10O2Si — CID 152513576

IUPACsilylmethyl propanoate
SMILESCCC(=O)OC[SiH3]
InChIInChI=1S/C4H10O2Si/c1-2-4(5)6-3-7/h2-3H2,1,7H3
InChIKeyYGAJRDKZMPTBJL-UHFFFAOYSA-N
MW118.21 g/mol
LogP-0.74
Rot. Bonds2

About silylmethyl propanoate

silylmethyl propanoate (PubChem CID 152513576) has the molecular formula C4H10O2Si and a molecular weight of 118.21 g/mol. Its IUPAC name is silylmethyl propanoate.

Molecular Properties

Compound Namesilylmethyl propanoate
PubChem CID152513576
Molecular FormulaC4H10O2Si
Molecular Weight118.21 g/mol
Exact Mass118.05
IUPAC Namesilylmethyl propanoate
SMILESCCC(=O)OC[SiH3]
InChIInChI=1S/C4H10O2Si/c1-2-4(5)6-3-7/h2-3H2,1,7H3
InChIKeyYGAJRDKZMPTBJL-UHFFFAOYSA-N
XLogP-0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
ethyl propanoate;tin(2+);dichloride
CID 171374953
sodium;hydride;(2-oxo-2-propanoyloxyethyl) propanoate
CID 175477931
(2-acetyloxy-2-oxoethyl) propanoate
CID 57195909
propanoyl (113C)propanoate
CID 91179573
[2-[2-[2-[2-(2-acetyloxy-2-oxoethoxy)-2-oxoethoxy]-2-oxoethoxy]-2-oxoethoxy]-2-oxoethyl] propanoate
CID 174477288
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227

Frequently Asked Questions

What is the IUPAC name of silylmethyl propanoate?
The IUPAC name of silylmethyl propanoate (CID 152513576) is silylmethyl propanoate.
What is the SMILES notation for silylmethyl propanoate?
The canonical SMILES for silylmethyl propanoate is CCC(=O)OC[SiH3].
What is the InChIKey of silylmethyl propanoate?
The InChIKey is YGAJRDKZMPTBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2Si/c1-2-4(5)6-3-7/h2-3H2,1,7H3.
What are the key properties of silylmethyl propanoate?
silylmethyl propanoate has a molecular weight of 118.21 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silylmethyl propanoate is sourced from PubChem (CID 152513576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).